ethyl 3-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)-3-oxidanylidene-propanoate hydrochloride

Systemtic Name: ethyl 3-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)-3-oxidanylidene-propanoate hydrochloride Openeye Name: ethyl 3-(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-3-quinolyl)-3-oxo-propanoate hydrochloride CAS Name: 3-[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinyl]-3-oxopropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinolin-3-yl)-3-oxopropanoate hydrochloride Traditional Name: 3-(1-cyclopropyl-6-fluoro-4-keto-7-piperazino-3-quinolyl)-3-keto-propionic acid ethyl ester hydrochloride Formula: C21H25ClFN3O4 MolecularWeight: 437.892303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4.Cl

Isomeric SMILES

CCOC(=O)CC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4CC4.Cl

InChI

InChI=1S/C21H24FN3O4.ClH/c1-2-29-20(27)11-19(26)15-12-25(13-3-4-13)17-10-18(24-7-5-23-6-8-24)16(22)9-14(17)21(15)28;/h9-10,12-13,23H,2-8,11H2,1H3;1H